Chem
J-GLOBAL ID：200907087323124521   Nikkaji number：J1.676.237G

Pittoviridagenin

ピットビリダゲニン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C40H62O8
Molecular formula furigana： C40-H62-O8
Molecular weight： 670.928
InChI： InChI=1S/C40H62O8/c1-12-23(4)34(46)48-32-33(47-29(43)19-22(2)3)40(21-41)25(20-35(32,5)6)24-13-14-27-37(9)17-16-28(42)36(7,8)26(37)15-18-38(27,10)39(24,11)30(44)31(40)45/h12-13,19,25-28,30-33,41-42,44-45H,14-18,20-21H2,1-11H3/b23-12-/t25-,26-,27+,28-,30-,31+,32-,33-,37-,38+,39-,40-/m0/s1
InChI key： CVSVASWBAWNLHJ-KMMWCEMHSA-N
SMILES： C/C=C(/C)\C(=O)O[C@H]1[C@H](OC(=O)C=C(C)C)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C
Systematic name  (3)：
  • オレアナ-12-エン-3β,15α,16α,21β,22α,28-ヘキサオール21-[(Z)-2-メチル-2-ブテノアート]22-(3-メチル-2-ブテノアート)
  • (3R,4R,4aR,5S,6R,6aS,6bR,8aR,10S,12aR,12bR,14bS)-5,6,10-トリヒドロキシ-4a-(ヒドロキシメチル)-2,2,6a,6b,9,9,12a-ヘプタメチル-4-[(3-メチルブタ-2-エノイル)オキシ]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-3-イル (2Z)-2-メチルブタ-2-エノアート
  • (3R,4R,4aR,5S,6R,6aS,6bR,8aR,10S,12aR,12bR,14bS)-5,6,10-trihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(3-methylbut-2-enoyl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-3-yl (2Z)-2-methylbut-2-enoate
Other name (3)：
  • Oleana-12-ene-3β,15α,16α,21β,22α,28-hexol 21-[(Z)-2-methyl-2-butenoate]22-(3-methyl-2-butenoate)
  • ピットビリダゲニン
  • Pittoviridagenin
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